Compound 34
  CheckMol                        TMF02:r0:m0
MF=C25H22ClNO3 MW=419.91
 30 32  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2817   -2.2311   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3292   -2.2311   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2698   -3.7264   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3410   -3.7264   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4622   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.9575   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766   -6.6933   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -6.6933   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885   -8.1886   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6939   -5.9338   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278   -5.9338   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224   -8.1886   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0112   -6.6696   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3285   -5.9100   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0231   -8.1649   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6458   -5.1505   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -8.9007   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3404   -8.9007   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7414  -10.3960   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3523  -10.3960   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4478  -11.1436   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587  -11.1317   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4597  -12.6389   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1661  -13.3866   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7770  -13.3866   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1780  -14.8819   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7889  -14.8819   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4953  -15.6177   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  3  0  0  0  0
 17 19 02  0  1  0  0
 17 20 01  0  1  0  0
 19 21 01  0  1  0  0
 20 22 02  0  1  0  0
 21 23  1  0  0  0  0
 21 24 02  0  1  0  0
 23 25  1  0  0  0  0
 25 26 02  0  1  0  0
 25 27 01  0  1  0  0
 26 28 01  0  1  0  0
 27 29 02  0  1  0  0
 28 30 02  0  1  0  0
  6  7 01  0  1  0  0
 22 24 01  0  1  0  0
 29 30 01  0  1  0  0
M  END

2D Structure

Fenvalerate

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Chemical Name - Fenvalerate
Mol Weight - 419.907
Smiles - CC(C)C(C(OC(c1cc(Oc2ccccc2)ccc1)C#N)=O)c(cc1)ccc1Cl

Property Name	Property Value
Mol Name	Fenvalerate
Molweight	419.907
Monoisotopic Mass	419.128821
Clogp	5.6229
Clogs	-7.095
H Acceptors	4
Total Surface Area	329.68
Relative Psa	0.14135
Polar Surface Area	59.32
Druglikeness	-5.9255
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Shape Index	0.56667
Molecular Flexibility	0.47982
Molecular Complexity	0.78115
Fragments	1
Non H Atoms	30
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	2
Rotatable Bonds	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	7
Symmetric Atoms	5
Smiles	CC(C)C(C(OC(c1cc(Oc2ccccc2)ccc1)C#N)=O)c(cc1)ccc1Cl
InChIKey	InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChI	NYPJDWWKZLNGGM-UHFFFAOYSA-N

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1 — Fenvalerate | 2 — Fenvalerate